Chemical ID: 7010722

c1cc(ccc1NC(=O)C2CC3CCCC(C2)C34SCCS4)Cl
Chemical ID:
7010722
Name [?]:
None
SMILES [?]:
c1cc(ccc1NC(=O)C2CC3CCCC(C2)C34SCCS4)Cl
InChi [?]:
InChI=1/C18H22ClNOS2/c19-15-4-6-16(7-5-15)20-17(21)12-10-13-2-1-3-14(11-12)18(13)22-8-9-23-18/h4-7,12-14H,1-3,8-11H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:14,13,15,2,4,1,5,20,21,11,17,10,12,16,3,6,8,18,23,7,9,19,22/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)(22,23)/rA:23cCCCCCCNCOCCCCCCCCCSCCSCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s10s16;s12s16;s18;s19;s20;s18s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22ClNOS2
All Atoms:45
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:11.1486
Area:529.814
Solvation:-2.09678
Coulombic:-24.3539
Bond Count [?]
All:26
Single:22
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:367.958
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.86
LogP (Chemaxon):5.01

Name Annotations

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Descriptor Annotations

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